Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPRC | P08575 | 3/20 | 0.62 |
| ▸ | S100A4 | P26447 | 2/20 | 0.62 |
| ▸ | BCHE | P06276 | 1/20 | 0.56 |
| ▸ | ACHE | P22303 | 1/20 | 0.56 |
| ▸ | CES1 | P23141 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.50 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | GSR | P00390 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.50 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8166761 | 0.93 | PTPRC (0.58) | PTPRCS100A4BCHEACHECES1 | |
| SCHEMBL16656175 | 0.81 | MAOB (0.45) | PTPRCS100A4BCHEACHECES1 | |
| SCHEMBL11484511 | 0.80 | PTPRC (0.57) | PTPRCS100A4BCHEACHECES1 | |
| SCHEMBL2772220 | 0.78 | PTPRC (0.83) | PTPRCS100A4BCHEACHECES1 | |
| SCHEMBL29559206 | 0.78 | PTPRC (1.00) | PTPRCS100A4BCHEACHECES1 | |
| SCHEMBL1237207 | 0.78 | PTPRC (0.91) | PTPRCS100A4BCHEACHECES1 | |
| SCHEMBL30349970 | 0.78 | PTPRC (0.91) | PTPRCS100A4BCHEACHECES1 | |
| SCHEMBL11207794 | 0.78 | PTPRC (0.83) | PTPRCS100A4BCHEACHECES1 | |
| SCHEMBL2599382 | 0.78 | PTPRC (1.00) | PTPRCS100A4BCHEACHECES1 | |
| SCHEMBL27697020 | 0.77 | PTPRC (0.69) | PTPRCS100A4BCHEACHECES1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2000008495-A2 | ANTIPROLIFERATIVE NAPHTHOQUINONES, DERIVATIVES, COMPOSITIONS, AND USES THEREOF | UNIVERSITY OF PITTSBURGH OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2000-02-17 | — | — | WO | disclosed |